N-benzyl-2-[4-[(4-chlorobenzoyl)amino]piperidin-1-yl]-N-ethylbenzamide

C28H30ClN3O2 — CID 46038514

IUPACN-benzyl-2-[4-[(4-chlorobenzoyl)amino]piperidin-1-yl]-N-ethylbenzamide
SMILESCCN(Cc1ccccc1)C(=O)c1ccccc1N1CCC(NC(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C28H30ClN3O2/c1-2-31(20-21-8-4-3-5-9-21)28(34)25-10-6-7-11-26(25)32-18-16-24(17-19-32)30-27(33)22-12-14-23(29)15-13-22/h3-15,24H,2,16-20H2,1H3,(H,30,33)
InChIKeyFRYKRUGTSRRVIJ-UHFFFAOYSA-N
MW476.02 g/mol
LogP5.40
Rot. Bonds7

About N-benzyl-2-[4-[(4-chlorobenzoyl)amino]piperidin-1-yl]-N-ethylbenzamide

N-benzyl-2-[4-[(4-chlorobenzoyl)amino]piperidin-1-yl]-N-ethylbenzamide (PubChem CID 46038514) has the molecular formula C28H30ClN3O2 and a molecular weight of 476.02 g/mol. Its IUPAC name is N-benzyl-2-[4-[(4-chlorobenzoyl)amino]piperidin-1-yl]-N-ethylbenzamide.

Molecular Properties

Compound NameN-benzyl-2-[4-[(4-chlorobenzoyl)amino]piperidin-1-yl]-N-ethylbenzamide
PubChem CID46038514
Molecular FormulaC28H30ClN3O2
Molecular Weight476.02 g/mol
Exact Mass475.20
IUPAC NameN-benzyl-2-[4-[(4-chlorobenzoyl)amino]piperidin-1-yl]-N-ethylbenzamide
SMILESCCN(Cc1ccccc1)C(=O)c1ccccc1N1CCC(NC(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C28H30ClN3O2/c1-2-31(20-21-8-4-3-5-9-21)28(34)25-10-6-7-11-26(25)32-18-16-24(17-19-32)30-27(33)22-12-14-23(29)15-13-22/h3-15,24H,2,16-20H2,1H3,(H,30,33)
InChIKeyFRYKRUGTSRRVIJ-UHFFFAOYSA-N
XLogP5.40
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.02
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[2-[benzyl(ethyl)carbamoyl]phenyl]piperidin-4-yl]-2,4-dichlorobenzamide
CID 42848423
4-N-benzyl-1-N-cyclopentyl-4-N-ethylbenzene-1,4-dicarboxamide
CID 109044420
N-benzyl-N-ethyl-2-[4-[(4-methylphenyl)sulfonylamino]piperidin-1-yl]benzamide
CID 46038773
2-[4-[(2-chlorobenzoyl)amino]piperidin-1-yl]-N-ethyl-N-methylbenzamide
CID 46038281
N-benzyl-2-[4-[[2-(4-chlorophenoxy)acetyl]amino]piperidin-1-yl]-N-methylbenzamide
CID 46038163
2-(4-benzamidopiperidin-1-yl)-N-(2-phenylethyl)benzamide
CID 46037520
2-(4-benzamidopiperidin-1-yl)-N-butan-2-ylbenzamide
CID 46037432
2-(4-acetamidopiperidin-1-yl)-N-benzyl-N-methylbenzamide
CID 46038155
2-(4-benzamidopiperidin-1-yl)-N-cyclohexyl-N-methylbenzamide
CID 24719023
2-[4-[(4-bromobenzoyl)amino]piperidin-1-yl]-N-(2-methylbutyl)benzamide
CID 46037660
N-benzyl-N-methyl-2-[4-(3-phenylpropanoylamino)piperidin-1-yl]benzamide
CID 46038156
4-ethyl-N-[1-[2-(4-methylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]benzamide
CID 46156215

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[4-[(4-chlorobenzoyl)amino]piperidin-1-yl]-N-ethylbenzamide?
The IUPAC name of N-benzyl-2-[4-[(4-chlorobenzoyl)amino]piperidin-1-yl]-N-ethylbenzamide (CID 46038514) is N-benzyl-2-[4-[(4-chlorobenzoyl)amino]piperidin-1-yl]-N-ethylbenzamide.
What is the SMILES notation for N-benzyl-2-[4-[(4-chlorobenzoyl)amino]piperidin-1-yl]-N-ethylbenzamide?
The canonical SMILES for N-benzyl-2-[4-[(4-chlorobenzoyl)amino]piperidin-1-yl]-N-ethylbenzamide is CCN(Cc1ccccc1)C(=O)c1ccccc1N1CCC(NC(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of N-benzyl-2-[4-[(4-chlorobenzoyl)amino]piperidin-1-yl]-N-ethylbenzamide?
The InChIKey is FRYKRUGTSRRVIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30ClN3O2/c1-2-31(20-21-8-4-3-5-9-21)28(34)25-10-6-7-11-26(25)32-18-16-24(17-19-32)30-27(33)22-12-14-23(29)15-13-22/h3-15,24H,2,16-20H2,1H3,(H,30,33).
What are the key properties of N-benzyl-2-[4-[(4-chlorobenzoyl)amino]piperidin-1-yl]-N-ethylbenzamide?
N-benzyl-2-[4-[(4-chlorobenzoyl)amino]piperidin-1-yl]-N-ethylbenzamide has a molecular weight of 476.02 g/mol, XLogP of 5.40, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[4-[(4-chlorobenzoyl)amino]piperidin-1-yl]-N-ethylbenzamide is sourced from PubChem (CID 46038514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).